Basic information
- CAS
119450-14-5- Standard SMILES
CCCCCCOC(=O)CCC(=O)OCc1ccccc1- InChIKey
IROBBPAWTAUBOK-UHFFFAOYSA-N- Molecular formula
- C17H24O4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16745924
Names & identifiers
- Preferred name
- Hexyl benzyl succinate
- IUPAC
- 4-O-benzyl 1-O-hexyl butanedioate
Names & synonyms
Hexyl benzyl succinateButanedioic acid, hexyl phenylmethyl ester119450-14-5DTXSID20335987RefChem:347777DTXCID00287076IROBBPAWTAUBOK-UHFFFAOYSA-NBenzyl hexyl butanedioate1-Benzyl 4-hexyl succinate1-Benzyl 4-hexyl succinate #SCHEMBL16345089
Database identifiers
- CAS
119450-14-5- PubChem CID
- 528263
- DTXSID
DTXSID20335987
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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